(Q105306910)

English

(1S,4R,15R,16S,19R,21R)-21-hydroxy-8,10-dioxa-5,17-diazaoctacyclo[15.5.3.01,16.04,15.04,21.06,14.07,11.015,19]pentacosa-6(14),7(11),12-trien-20-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aspidospermine / aspidofractine / kopsane alkaloid

0 references

mass

366.157957184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂N₂O₄

0 references

canonical SMILES

O=C1C2CN3CCCC45CCC6(NC7=C8OCOC8=CC=C7C26C34)C1(O)C5

0 references

isomeric SMILES

O=C1[C@H]2CN3CCC[C@@]45CC[C@]6(Nc7c(ccc8c7OCO8)[C@@]26[C@@H]34)[C@]1(O)C5

0 references

found in taxon

Kopsia arborea

1 reference

stated in

Biologically active indole alkaloids from Kopsia arborea

Identifiers

InChI

InChI=1S/C21H22N2O4/c24-16-12-8-23-7-1-4-18-5-6-20(19(16,25)9-18)21(12,17(18)23)11-2-3-13-15(14(11)22-20)27-10-26-13/h2-3,12,17,22,25H,1,4-10H2/t12-,17+,18+,19+,20+,21+/m1/s1

0 references

InChIKey

WJLQBNHRNGNRLK-OGQOPXISSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WJLQBNHRNGNRLK-OGQOPXISSA-N

(Q105306910)

(1S,4R,15R,16S,19R,21R)-21-hydroxy-8,10-dioxa-5,17-diazaoctacyclo[15.5.3.01,16.04,15.04,21.06,14.07,11.015,19]pentacosa-6(14),7(11),12-trien-20-one

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Identifiers

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